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uppittu11 / analysis

Analysis scripts for molecular dynamics simulations of stratum corneum lipid multilayers.
MIT License
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Add test for the entrypoints for CG and atomistic systems. #54

Closed uppittu11 closed 4 years ago

uppittu11 commented 4 years ago

This tests the analyze command line function for an atomistic and a CG input. This is a temporary addition since we don't have very comprehensive unit tests.

codecov[bot] commented 4 years ago

Codecov Report

Merging #54 into master will increase coverage by 37.61%. The diff coverage is n/a.

Impacted file tree graph

@@             Coverage Diff             @@
##           master      #54       +/-   ##
===========================================
+ Coverage   38.57%   76.19%   +37.61%     
===========================================
  Files          11       11               
  Lines         521      521               
===========================================
+ Hits          201      397      +196     
+ Misses        320      124      -196
Impacted Files Coverage Δ
analysis/molecules/molecules.py 83.44% <0.00%> (+0.68%) :arrow_up:
analysis/residue.py 64.00% <0.00%> (+16.00%) :arrow_up:
analysis/load.py 60.83% <0.00%> (+46.15%) :arrow_up:
analysis/smoothing.py 80.95% <0.00%> (+61.90%) :arrow_up:
analysis/height.py 84.37% <0.00%> (+62.50%) :arrow_up:
analysis/directors.py 100.00% <0.00%> (+70.00%) :arrow_up:
analysis/s2.py 100.00% <0.00%> (+71.42%) :arrow_up:
analysis/utils.py 100.00% <0.00%> (+71.87%) :arrow_up:
analysis/frame.py 77.58% <0.00%> (+77.58%) :arrow_up: